SCHEMBL4767722

SCHEMBL4767722

CCCCn1c(=O)c([N+](=O)[O-])c(C)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.40
ADORA2A P29274 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
TNF P01375 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
RGS4 P49798 3/20 0.37
RGS8 P57771 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4058512 0.90 ADORA2A (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4769165 0.89 PDE4A (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8174835 0.88 NCOA1 (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL17528547 0.86 SMN1; SMN2 (0.36) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4767319 0.85 ALDH1A1 (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4767903 0.81 RGS4 (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8176996 0.80 RGS4 (0.36) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4772714 0.80 ADORA2B (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4766301 0.80 RGS4 (0.47) ADORA2ATNFNCOA1NCOA3RGS4
SCHEMBL4762458 0.79 PDE1A (0.44) PDE4APDE4BPDE4CPDE4DLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440983-B2 Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 PDE4A 182/4885ADORA2A 2/4885PDE4B 131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.